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	hartrees
Energy at 0K	-489.820786
Energy at 298.15K	-489.820400
Nuclear repulsion energy	70.950414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2014	1828	36.73
2	Σ	758	688	12.52
3	Π	445	404	4.10
3	Π	359	326	5.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.630
S2	0.000	0.000	1.021
N3	0.000	0.000	-1.793

	C1	S2	N3
C1		1.6512	1.1624
S2	1.6512		2.8136
N3	1.1624	2.8136

Number	Element	Mulliken
1	C	-0.017
2	S	0.160
3	N	-0.143

All results from a given calculation for SCN (thiocyanato radical)

using model chemistry: HF/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	57.024
(<r²>)^1/2	7.551